Mol:LBF20408LX01

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LBF20408LX01.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 24  0  0  1  0  0  0  0  0999 V2000
   -3.2106    0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2120   -0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9256   -0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7834    1.6493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3561   -1.6493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3575    0.0007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0697    0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0697    1.6493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7842    0.4118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 12 20  1  1  0  0  0
  9 21  1  6  0  0  0
 10 22  1  1  0  0  0
 15 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
S  SKP  5
ID	LBF20408LX01
FORMULA	C20H32O5
EXACTMASS	352.224974134
AVERAGEMASS	352.46508
SMILES	C(CCC(O)C(O)C=CC=CC=CC=CC(CCCC(O)=O)O)CC
M  END

</pre>

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